CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00427506" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00427506
Family CFFBM14286 Adenosine receptor A1 and Adenosine receptor A2a ligand 2-amino-4-(1,3-benzodioxol-5-yl)-6-phenylpyrimidine-5-carbonitrile family
Superfamily CFSBM4061 Adenosine receptor A1 and Adenosine receptor A3 Binder Superfamily 7
Class CFCAD377 Class 377
External ID CHEMBL259607 External Source CHEMBL
PubChem CID 44451790 Functional Category Bioactive
Molecule Name 2-amino-4-(1,3-benzodioxol-5-yl)-6-phenylpyrimidine-5-carbonitrile
IUPAC Name 2-amino-4-(1,3-benzodioxol-5-yl)-6-phenylpyrimidine-5-carbonitrile
Synonyms AGN-PC-076DEC;2-amino-4-(1,3-benzodioxol-5-yl)-6-phenylpyrimidine-5-carbonitrile
InChi InChI=1S/C18H12N4O2/c19-9-13-16(11-4-2-1-3-5-11)21-18(20)22-17(13)12-6-7-14-15(8-12)24-10-23-14/h1-8H,10H2,(H2,20,21,22)
InChiKey GBQXIYDOPGLBKE-UHFFFAOYSA-N
Formula C18H12N4O2 Molecular Weight 316.31
Cross Link CHEMBL259607
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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